2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide

C19H29N3O — CID 97089008

IUPAC2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1
InChIInChI=1S/C19H29N3O/c1-15(16-7-4-3-5-8-16)20-19(23)14-22-12-10-18-17(13-22)9-6-11-21(18)2/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,20,23)/t15-,17+,18+/m0/s1
InChIKeyGJJPFLFIMSHLBP-CGTJXYLNSA-N
MW315.46 g/mol
LogP2.28
Rot. Bonds4

About 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide

2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 97089008) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID97089008
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1
InChIInChI=1S/C19H29N3O/c1-15(16-7-4-3-5-8-16)20-19(23)14-22-12-10-18-17(13-22)9-6-11-21(18)2/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,20,23)/t15-,17+,18+/m0/s1
InChIKeyGJJPFLFIMSHLBP-CGTJXYLNSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(1-phenylethyl)acetamide
CID 43556855
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
2-(3-methylpiperazin-1-yl)-N-(1-phenylethyl)acetamide
CID 65448844
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzoic acid
CID 81199224
1-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 18089114
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
N-(1-phenylethyl)-2-piperazin-1-ylacetamide
CID 23080516
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81198905
N-(1-phenylethyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 18125323
N-benzhydryl-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681889
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
(3R)-1-[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylic acid
CID 124693934

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide (CID 97089008) is 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1.
What is the InChIKey of 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is GJJPFLFIMSHLBP-CGTJXYLNSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15(16-7-4-3-5-8-16)20-19(23)14-22-12-10-18-17(13-22)9-6-11-21(18)2/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3,(H,20,23)/t15-,17+,18+/m0/s1.
What are the key properties of 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide?
2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 97089008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).